| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks |
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| | | | | | |
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| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (29.00219012,0.8472418593);(44.99710422,1.925032137);(56.99710422,0.7905882252);(58.00492882,1.310964047);(59.01275342,7.504106342);(60.02057802,1.839685491);(87.00766752,1.111561627);(88.01549212,0.9160833846);(89.02331672,2.711404689);(90.03114132,1.315449726);(103.0025816,0.9477632489);(117.0182308,1.412853755);(134.0209695,1.191570212);(212.0467905,2.622037866);(213.0546151,0.8620437395);(240.0417046,0.9552525644);(253.0495292,0.8210246813);(254.0573538,1.314767838);(268.0366187,1.038045529);(269.0444433,1.461419175);(270.0522679,0.9956182068);(282.0522679,0.874623625);(284.0679171,0.991580335);(298.047182,0.947701066);(300.0628312,1.130734559);(313.0706558,0.7948442737);(343.0812191,1.339645608);(357.060484,0.9897109639);(358.0683086,0.9671772196);(370.0683086,2.407890999);(371.0761332,2.375826988) | | Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (73.04679982,3.311249214);(75.02606472,0.6905110195);(89.04171392,1.867771777);(90.04953852,0.7756780335);(117.036628,1.329731442);(203.091801,0.7946278451);(204.0996256,0.8179017192);(212.0467905,2.906367382);(213.0546151,0.8548110187);(247.0816292,0.7926904907);(305.1418881,1.073264654);(306.1497127,1.089972997);(319.1575373,1.781406662);(349.1317163,0.6844159407);(350.1395409,0.6351769335);(427.1391401,0.5898203791);(465.1974526,1.531237103);(466.1989964,0.6315250239);(530.1970518,0.7030448778);(559.1997905,2.674567931);(560.2019441,1.237292044);(586.18688,0.6834607117);(587.1947046,2.092416861);(588.1968883,0.9921877173);(603.1896187,1.171531461);(604.1974433,1.005929615);(605.2052679,0.6417067021);(661.2134933,9.167215227);(662.2154914,5.028032186);(663.2143254,2.715525671);(664.2150246,0.9244619602) | | Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (29.00219012,0.8472418593);(44.99710422,1.925032137);(56.99710422,0.7905882252);(58.00492882,1.310964047);(59.01275342,7.504106342);(60.02057802,1.839685491);(87.00766752,1.111561627);(88.01549212,0.9160833846);(89.02331672,2.711404689);(90.03114132,1.315449726);(103.0025816,0.9477632489);(117.0182308,1.412853755);(134.0209695,1.191570212);(212.0467905,2.622037866);(213.0546151,0.8620437395);(240.0417046,0.9552525644);(253.0495292,1.43847625);(254.0573538,1.314767838);(268.0366187,1.038045529);(269.0444433,1.461419175);(270.0522679,0.9956182068);(282.0522679,0.874623625);(284.0679171,0.991580335);(298.047182,0.947701066);(300.0628312,1.130734559);(313.0706558,0.7948442737);(343.0812191,1.339645608);(357.060484,0.9897109639);(358.0683086,0.9671772196);(370.0683086,2.407890999);(371.0761332,2.375826988) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (68.99765427,0.4384291182);(87.00821896,0.6601694685);(99.00821896,0.7449202778);(101.023869,0.229306615);(117.0187836,0.837605254);(119.0344337,0.2426505605);(131.0344337,0.2110564871);(147.0293483,0.3536493084);(159.0293483,0.9069919357);(173.0086129,0.1742343982);(175.0242629,0.3346029122);(177.039913,2.536523094);(197.0602545,0.9639171928);(201.0915547,0.2455912419);(203.1072047,0.2455912419);(213.0551691,42.40170344);(217.0864693,0.4957426198);(241.0500838,0.301482722);(253.0500838,0.2005986707);(283.0606485,0.2132123185);(313.0712131,0.1749825045);(325.0712131,0.1944897935);(327.0504777,0.2684461196);(329.0661278,0.1866605751);(343.0817778,0.7654622369);(345.0974279,0.2471857303);(353.0661278,3.29324654);(353.0661278,1.001367939);(371.0766924,18.93046658);(371.0766924,0.4486923443);(389.0872571,21.75102077) | | Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (43.01838972,0.7851782136);(51.0234751,0.2529448012);(61.0289544,0.216057833);(63.04460446,0.2065655575);(68.99765427,0.1851273532);(87.00821896,0.4101350351);(117.0187836,0.1585930613);(131.0344337,0.647250172);(147.0293483,0.1746897572);(149.0449984,0.1635281586);(157.0136983,0.2393618874);(159.0293483,2.78437007);(171.0446045,0.2957579704);(175.0242629,0.244341454);(177.039913,3.213525673);(187.0395191,1.278948071);(197.0602545,1.057100843);(213.0551691,74.52355547);(217.0864693,0.2167231006);(253.0500838,0.5193145842);(255.0657338,0.2903821758);(257.0813839,0.2313075787);(325.0712131,0.4942197032);(327.0868632,0.2929017758);(341.0661278,0.3886022248);(343.0817778,1.337541989);(345.0974279,0.6770110472);(353.0661278,2.260068351);(359.0766924,0.5224237001);(371.0766924,3.87675798);(389.0872571,2.055714409) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (43.01838972,2.174311391);(51.0234751,9.431138237);(59.01330434,1.608377493);(61.0289544,0.4854962236);(68.99765427,0.5116012756);(73.0289544,0.6399002941);(75.00821896,0.6468224488);(87.00821896,3.911733271);(89.02386902,1.172695828);(91.03951908,0.8060724407);(99.00821896,0.6345437601);(101.023869,0.5794856877);(103.0031336,0.7618411983);(105.0187836,0.7806118202);(117.0187836,2.487568764);(119.0344337,0.7064318943);(131.0344337,1.71213839);(159.0293483,2.121251267);(171.0446045,6.486608835);(177.039913,0.586759088);(185.0602545,0.8875713067);(187.0395191,5.877374679);(197.0602545,4.403533921);(199.0759046,1.102799259);(201.0915547,0.6320416568);(203.1072047,0.6320416568);(213.0551691,45.42089656);(241.0500838,1.094469996);(253.0500838,0.5198851292);(327.0868632,0.6408826865);(341.0661278,0.5431135435) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (41.00273965,0.8309753668);(44.99765427,0.3816051458);(59.01330434,0.6503674342);(71.01330434,2.061559823);(73.0289544,0.6781421894);(87.00821896,1.339832036);(101.023869,0.5291627446);(103.0031336,1.63459368);(103.0395191,0.4227927444);(115.0031336,0.3901545265);(117.0187836,2.643736563);(133.0136983,0.4798508816);(147.0293483,1.959269284);(175.0242629,1.282273398);(211.0395191,25.14971041);(235.0395191,0.3943980309);(253.0500838,1.492746233);(269.0449984,0.9910549502);(283.0453923,0.5908622403);(283.0606485,0.6461501573);(299.0919486,0.7126799844);(313.0712131,0.4664716109);(325.0712131,2.722269848);(339.0504777,0.6431665954);(341.0661278,4.154050573);(343.0817778,11.67724736);(357.0610424,0.6482418265);(361.055957,0.4814337516);(369.0610424,0.8442050231);(369.0610424,3.130365504);(387.0716071,29.97063008) | | Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (41.00273965,0.6088992256);(43.01838972,1.778326126);(59.01330434,1.739537571);(61.0289544,0.5074742037);(71.01330434,0.6131321825);(72.99256889,0.98136131);(73.0289544,1.748196631);(84.99256889,0.6395933637);(87.00821896,2.680526947);(101.023869,0.5870015119);(103.0395191,1.748161795);(115.0031336,0.7095277952);(117.0187836,0.9532231208);(131.0344337,0.664621145);(145.0136983,0.6442435708);(147.0293483,1.17046159);(175.0242629,1.08382046);(195.0446045,0.6784325996);(211.0395191,52.72536341);(253.0500838,1.309024267);(269.0449984,1.381588828);(283.0606485,0.654113308);(297.0762985,1.040469877);(299.0919486,1.226913765);(325.0712131,4.289182933);(341.0661278,3.090012957);(343.0817778,6.342460501);(357.0610424,0.586082529);(369.0610424,0.6897836152);(369.0610424,2.861770954);(387.0716071,4.266691904) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00273965,4.769224871);(43.01838972,4.234241874);(49.00782503,0.6179971331);(56.99765427,0.9131598898);(59.01330434,2.522377085);(61.0289544,3.518727099);(68.99765427,0.3836735845);(71.01330434,1.318713446);(72.99256889,0.4171014128);(73.0289544,1.935117899);(84.99256889,0.5802061066);(87.00821896,1.270924458);(91.03951908,0.3761055191);(101.023869,0.580016062);(103.0395191,0.4035136404);(105.0187836,0.314762114);(117.0187836,0.4202512026);(129.0187836,0.3620436644);(131.0344337,2.801314901);(139.0547752,1.934179077);(169.0289544,6.350098657);(173.0086129,0.4003755092);(183.0446045,1.282417027);(185.023869,3.486846777);(195.0446045,1.33453647);(209.0602545,0.7606948495);(211.0395191,53.8322206);(213.0551691,0.3130643028);(251.0344337,1.290543316);(297.0762985,0.8721948957);(299.0919486,0.4033565538) | | Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (129.01933,24.25);(129.01933,24.25);(157.01425,19.04);(157.01425,19.04);(157.01425,19.04);(157.01425,19.04);(175.02481,29.66);(175.02481,29.66);(175.02481,29.66);(175.02481,29.66);(175.02481,29.66);(175.02481,29.66);(175.02481,29.66);(211.04007,55.45);(211.04007,55.45);(211.04007,55.45);(211.04007,55.45);(211.04007,55.45);(211.04007,55.45);(211.04007,55.45);(211.04007,55.45);(269.04555,11.16);(351.05103,15.29);(351.05103,15.29);(351.05103,15.29);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(369.06159,89.98);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0);(387.07216,100.0) | | Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (41.00329,3.41);(59.01385,12.65);(59.01385,12.65);(72.99312,3.71);(75.00877,3.76);(87.00877,6.38);(87.00877,6.38);(87.00877,6.38);(89.02442,2.6);(89.02442,2.6);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(213.05572,1.7);(269.04555,2.17);(325.07176,2.95);(325.07176,2.95);(343.08233,5.19);(343.08233,5.19);(343.08233,5.19);(343.08233,5.19);(343.08233,5.19);(343.08233,5.19);(359.07724,4.12);(359.07724,4.12);(359.07724,4.12);(359.07724,4.12);(359.07724,4.12);(359.07724,4.12);(359.07724,4.12);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(369.06159,5.57);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93);(387.07216,7.93) | | Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (169.0295,43.99);(183.04515,80.23);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0);(211.04007,100.0) | | Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (177.03936,10.26);(177.03936,10.26);(177.03936,10.26);(177.03936,10.26);(177.03936,10.26);(177.03936,10.26);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(371.07614,16.81);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6);(389.08671,69.6) | | Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (59.01276,3.78);(89.02332,3.44);(89.02332,3.44);(89.02332,3.44);(131.03389,7.3);(131.03389,7.3);(159.0288,10.23);(159.0288,10.23);(159.0288,10.23);(159.0288,10.23);(177.03936,5.91);(177.03936,5.91);(177.03936,5.91);(177.03936,5.91);(177.03936,5.91);(177.03936,5.91);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(217.08592,4.18);(255.06519,13.78);(255.06519,13.78);(257.08084,9.64);(257.08084,9.64);(257.08084,9.64);(271.0601,4.18);(273.07575,3.96);(311.05501,4.27);(313.07066,15.07);(315.08631,7.68);(315.08631,7.68);(315.08631,7.68);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(343.08123,17.82);(345.09688,4.78);(345.09688,4.78);(345.09688,4.78);(345.09688,4.78);(345.09688,4.78);(345.09688,4.78);(345.09688,4.78);(345.09688,4.78);(353.06558,14.08);(353.06558,14.08);(353.06558,14.08);(353.06558,14.08);(361.09179,5.44);(361.09179,5.44);(361.09179,5.44);(361.09179,5.44);(361.09179,5.44);(361.09179,5.44);(361.09179,5.44);(361.09179,5.44);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(371.07614,37.61);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9);(389.08671,20.9) | | Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (59.01276,20.9);(61.02841,35.46);(61.02841,35.46);(63.04406,6.22);(71.01276,7.69);(73.02841,12.31);(73.02841,12.31);(73.02841,12.31);(101.02332,8.19);(101.02332,8.19);(101.02332,8.19);(103.03897,8.96);(103.03897,8.96);(103.03897,8.96);(129.01824,19.94);(165.03936,7.35);(197.05971,9.93);(197.05971,9.93);(197.05971,9.93);(197.05971,9.93);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(213.05462,100.0);(225.05462,13.11);(225.05462,13.11);(239.07027,6.73);(239.07027,6.73);(241.04954,18.28);(243.06519,9.24);(269.08084,15.17);(269.08084,15.17);(269.08084,15.17);(281.04445,7.99);(285.07575,13.77);(285.07575,13.77);(285.07575,13.77);(297.07575,9.89);(297.07575,9.89);(297.07575,9.89);(299.05501,6.63);(299.05501,6.63);(299.0914,8.23);(299.0914,8.23);(299.0914,8.23);(301.07066,12.59);(301.07066,12.59);(301.07066,12.59);(313.07066,14.0);(341.06558,7.84);(341.06558,7.84);(341.06558,7.84);(341.06558,7.84);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(343.08123,12.18);(345.09688,24.02);(345.09688,24.02);(345.09688,24.02);(345.09688,24.02);(345.09688,24.02);(345.09688,24.02);(345.09688,24.02);(345.09688,24.02);(359.07614,6.23);(359.07614,6.23);(359.07614,6.23);(359.07614,6.23);(359.07614,6.23);(361.09179,44.02);(361.09179,44.02);(361.09179,44.02);(361.09179,44.02);(361.09179,44.02);(361.09179,44.02);(361.09179,44.02);(361.09179,44.02);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(371.07614,7.24);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04);(389.08671,19.04) |
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